Acetyl-CoA
type: SmallMoleculeReference
xref: Reference/BioCyc ACETYL-COA
xref: Reference/PubChem-compound 444493
xref: Reference/HMDB HMDB0001206
xref: Reference/ChemSpider 392413
xref: Reference/CAS 72-89-9
xref: Reference/ChEBI CHEBI 15351
xref: Reference/KEGG Compound C00024
chemical formula: C23H38N7O17P3S
molecular weight: 809.1258
structure: ChemicalStructure/PW C000940

Reference/CAS 142-62-1
type: UnificationXref
id: 142-62-1
db: CAS

Reference/CAS 1871-67-6
type: UnificationXref
id: 1871-67-6
db: CAS

trans-Dodec-2-enoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: trans-Dodec-2-enoic acid

Compound/PW C000366 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Caprylic acid
stoichiometric coefficient: 1.0

Dodecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Dodecanoic acid

Compound/PW C006741 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: (R)-3-Hydroxy-hexadecanoic acid
stoichiometric coefficient: 1.0

Reference/KEGG Compound C01771
type: UnificationXref
id: C01771
db: KEGG Compound

Reference/ChemSpider 552744
type: UnificationXref
id: 552744
db: ChemSpider

Reference/ChEBI CHEBI 30794
type: UnificationXref
id: CHEBI:30794
db: ChEBI

Reference/BioCyc 3-OXODODECANOATE
type: UnificationXref
id: 3-OXODODECANOATE
db: BioCyc

Reaction1248
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000940 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000911 Cytosol/Stoichiometry/1.0
right: Malonyl-CoA
spontaneous: false
left: Acetyl-CoA
name: Acetyl-CoA → Malonyl-CoA
conversion direction: LEFT_TO_RIGHT

Reference/PathWhiz PW000167
type: UnificationXref
id: PW000167
db: PathWhiz

3-Hydroxybutyric acid
type: SmallMolecule
cellular location: Cytosol
entity reference: 3-Hydroxybutyric acid

Caproic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Caproic acid

Reference/BioCyc CPD-195
type: UnificationXref
id: CPD-195
db: BioCyc

Reference/ChEBI CHEBI 30776
type: UnificationXref
id: CHEBI:30776
db: ChEBI

ReactionCatalysis962
type: Catalysis
controller: Acetyl-CoA carboxylase 1
controlled: Reaction1248
control type: ACTIVATION

3-oxohexadecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: 3-oxohexadecanoic acid

Reference/ChEBI CHEBI 37162
type: UnificationXref
id: CHEBI:37162
db: ChEBI

Reference/PubChem-compound 5312804
type: UnificationXref
id: 5312804
db: PubChem-compound

Reference/ChEBI CHEBI 30772
type: UnificationXref
id: CHEBI:30772
db: ChEBI

ChemicalStructure/PW C001099
type: ChemicalStructure
structure format: SMILES

trans-Tetra-dec-2-enoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: trans-Tetra-dec-2-enoic acid

Reference/ChEBI CHEBI 41131
type: UnificationXref
id: CHEBI:41131
db: ChEBI

Reference/ChemSpider 4445841
type: UnificationXref
id: 4445841
db: ChemSpider

ReactionCatalysis2050
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2201
control type: ACTIVATION

Cytosol
type: CellularLocationVocabulary
xref: Reference/GENE ONTOLOGY GO 0005829

Compound/PW C006733 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: trans-Dec-2-enoic acid
stoichiometric coefficient: 1.0

Compound/PW C006742 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Trans-Hexa-dec-2-enoic acid
stoichiometric coefficient: 1.0

ReactionCatalysis2053
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2204
control type: ACTIVATION

ReactionCatalysis2052
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2203
control type: ACTIVATION

ReactionCatalysis2055
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2206
control type: ACTIVATION

ReactionCatalysis2054
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2205
control type: ACTIVATION

ReactionCatalysis2057
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2208
control type: ACTIVATION

Reference/ChemSpider 94
type: UnificationXref
id: 94
db: ChemSpider

ReactionCatalysis2056
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2207
control type: ACTIVATION

Fatty acid synthase
type: ProteinReference
xref: Reference/UniProt P49327
organism: Homo sapiens

Reference/KEGG Compound C00249
type: UnificationXref
id: C00249
db: KEGG Compound

Compound/PW C000412 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Caproic acid
stoichiometric coefficient: 1.0

Reference/KEGG Compound C01571
type: UnificationXref
id: C01571
db: KEGG Compound

Reference/PubChem-compound 11005
type: UnificationXref
id: 11005
db: PubChem-compound

Reference/KEGG Compound C00246
type: UnificationXref
id: C00246
db: KEGG Compound

But-2-enoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: But-2-enoic acid

Compound/PW C006740 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-oxohexadecanoic acid
stoichiometric coefficient: 1.0

Myristic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Myristic acid

Reference/ChemSpider 4445834
type: UnificationXref
id: 4445834
db: ChemSpider

Reference/ChEBI CHEBI 86544
type: UnificationXref
id: CHEBI:86544
db: ChEBI

Reference/ChEBI CHEBI 37099
type: UnificationXref
id: CHEBI:37099
db: ChEBI

Compound/PW C006725 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-oxohexanoic acid
stoichiometric coefficient: 1.0

Coenzyme A
type: SmallMolecule
cellular location: Cytosol
entity reference: Coenzyme A

Reference/KEGG Compound C02679
type: UnificationXref
id: C02679
db: KEGG Compound

Reference/KEGG Compound C01585
type: UnificationXref
id: C01585
db: KEGG Compound

Reference/KEGG Compound C00010
type: UnificationXref
id: C00010
db: KEGG Compound

Compound/PW C006726 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: (R)-3-Hydroxyhexanoic acid
stoichiometric coefficient: 1.0

Reference/ChemSpider 4472286
type: UnificationXref
id: 4472286
db: ChemSpider

Reference/CAS 334-48-5
type: UnificationXref
id: 334-48-5
db: CAS

Compound/PW C006734 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-oxododecanoic acid
stoichiometric coefficient: 1.0

Reference/PubChem-compound 8892
type: UnificationXref
id: 8892
db: PubChem-compound

Reference/ChEBI CHEBI 42539
type: UnificationXref
id: CHEBI:42539
db: ChEBI

Compound/PW C006727 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: trans-Hex-2-enoic acid
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0010722
type: UnificationXref
id: HMDB0010722
db: HMDB

Reference/HMDB HMDB0010721
type: UnificationXref
id: HMDB0010721
db: HMDB

Reference/HMDB HMDB0010720
type: UnificationXref
id: HMDB0010720
db: HMDB

Reference/KEGG Compound C00383
type: UnificationXref
id: C00383
db: KEGG Compound

Reference/ChemSpider 388783
type: UnificationXref
id: 388783
db: ChemSpider

Reference/KEGG Compound C00024
type: UnificationXref
id: C00024
db: KEGG Compound

ChemicalStructure/PW C000911
type: ChemicalStructure
structure format: SMILES

Reference/HMDB HMDB0010719
type: UnificationXref
id: HMDB0010719
db: HMDB

Reference/HMDB HMDB0010718
type: UnificationXref
id: HMDB0010718
db: HMDB

Reference/HMDB HMDB0010717
type: UnificationXref
id: HMDB0010717
db: HMDB

Compound/PW C006735 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: (R)-3-Hydroxydodecanoic acid
stoichiometric coefficient: 1.0

Reference/BioCyc ACET
type: UnificationXref
id: ACET
db: BioCyc

Compound/PW C006728 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: But-2-enoic acid
stoichiometric coefficient: 1.0

3-oxohexanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: 3-oxohexanoic acid

Compound/PW C006732 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: (R)-3-Hydroxydecanoic acid
stoichiometric coefficient: 1.0

Reference/ChemSpider 4472229
type: UnificationXref
id: 4472229
db: ChemSpider

Reference/ChemSpider 4472223
type: UnificationXref
id: 4472223
db: ChemSpider

Malonic acid
type: SmallMoleculeReference
xref: Reference/BioCyc MALONATE
xref: Reference/KEGG Compound C00383
xref: Reference/HMDB HMDB0000691
xref: Reference/CAS 141-82-2
xref: Reference/ChEBI CHEBI 30794
xref: Reference/ChemSpider 844
xref: Reference/PubChem-compound 23511544
chemical formula: C3H4O4
molecular weight: 104.010956
structure: ChemicalStructure/PW C000543

Reaction2191
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006731 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000543 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000366 Cytosol/Stoichiometry/1.0
right: 3-oxodecanoic acid
spontaneous: false
left: Malonic acid
left: Caprylic acid
name: Caprylic acid + Malonic acid → 3-oxodecanoic acid
conversion direction: LEFT_TO_RIGHT

Reference/KEGG Compound C00033
type: UnificationXref
id: C00033
db: KEGG Compound

Reaction2192
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006731 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006732 Cytosol/Stoichiometry/1.0
right: (R)-3-Hydroxydecanoic acid
spontaneous: false
left: 3-oxodecanoic acid
name: 3-oxodecanoic acid → (R)-3-Hydroxydecanoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2190
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001204 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000366 Cytosol/Stoichiometry/1.0
right: Caprylic acid
spontaneous: false
left: trans-2-Octenoic acid
name: trans-2-Octenoic acid → Caprylic acid
conversion direction: LEFT_TO_RIGHT

Reference/ChEBI CHEBI 18037
type: UnificationXref
id: CHEBI:18037
db: ChEBI

Reaction2188
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006729 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006730 Cytosol/Stoichiometry/1.0
right: (R)-3-Hydroxyoctanoic acid
spontaneous: false
left: 3-oxooctanoic acid
name: 3-oxooctanoic acid → (R)-3-Hydroxyoctanoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2189
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006730 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C001204 Cytosol/Stoichiometry/1.0
right: trans-2-Octenoic acid
spontaneous: false
left: (R)-3-Hydroxyoctanoic acid
name: (R)-3-Hydroxyoctanoic acid → trans-2-Octenoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2186
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000412 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006727 Cytosol/Stoichiometry/1.0
right: Caproic acid
spontaneous: false
left: trans-Hex-2-enoic acid
name: trans-Hex-2-enoic acid → Caproic acid
conversion direction: LEFT_TO_RIGHT

Reaction2187
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006729 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000412 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000543 Cytosol/Stoichiometry/1.0
right: 3-oxooctanoic acid
spontaneous: false
left: Malonic acid
left: Caproic acid
name: Caproic acid + Malonic acid → 3-oxooctanoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2184
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006725 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006726 Cytosol/Stoichiometry/1.0
right: (R)-3-Hydroxyhexanoic acid
spontaneous: false
left: 3-oxohexanoic acid
name: 3-oxohexanoic acid → (R)-3-Hydroxyhexanoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2185
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006726 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006727 Cytosol/Stoichiometry/1.0
right: trans-Hex-2-enoic acid
spontaneous: false
left: (R)-3-Hydroxyhexanoic acid
name: (R)-3-Hydroxyhexanoic acid → trans-Hex-2-enoic acid
conversion direction: LEFT_TO_RIGHT

Reference/PubChem-compound 5312798
type: UnificationXref
id: 5312798
db: PubChem-compound

Reaction2182
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006728 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000028 Cytosol/Stoichiometry/1.0
right: Butyric acid
spontaneous: false
left: But-2-enoic acid
name: But-2-enoic acid → Butyric acid
conversion direction: LEFT_TO_RIGHT

Reaction2183
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006725 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000543 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000028 Cytosol/Stoichiometry/1.0
right: 3-oxohexanoic acid
spontaneous: false
left: Butyric acid
left: Malonic acid
name: Butyric acid + Malonic acid → 3-oxohexanoic acid
conversion direction: LEFT_TO_RIGHT

Reference/CAS 334-49-6
type: UnificationXref
id: 334-49-6
db: CAS

(R)-3-Hydroxy-hexadecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: (R)-3-Hydroxy-hexadecanoic acid

Reaction2180
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000042 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000258 Cytosol/Stoichiometry/1.0
right: 3-Hydroxybutyric acid
spontaneous: false
left: Acetoacetic acid
name: Acetoacetic acid → 3-Hydroxybutyric acid
conversion direction: LEFT_TO_RIGHT

Reaction2181
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006728 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000258 Cytosol/Stoichiometry/1.0
right: But-2-enoic acid
spontaneous: false
left: 3-Hydroxybutyric acid
name: 3-Hydroxybutyric acid → But-2-enoic acid
conversion direction: LEFT_TO_RIGHT

Reference/KEGG Compound C00164
type: UnificationXref
id: C00164
db: KEGG Compound

Reaction2177
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000543 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000042 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000029 Cytosol/Stoichiometry/1.0
right: Acetoacetic acid
spontaneous: false
left: Acetic acid
left: Malonic acid
name: Acetic acid + Malonic acid → Acetoacetic acid
conversion direction: LEFT_TO_RIGHT

Reaction2178
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001099 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000940 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000029 Cytosol/Stoichiometry/1.0
right: Acetic acid
right: Coenzyme A
spontaneous: false
left: Acetyl-CoA
name: Acetyl-CoA → Acetic acid + Coenzyme A
conversion direction: LEFT_TO_RIGHT

ChemicalStructure/PW C006725
type: ChemicalStructure
structure format: SMILES
structure data: CCCC(=O)CC(O)=O

Compound/PW C006739 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: trans-Tetra-dec-2-enoic acid
stoichiometric coefficient: 1.0

Reaction2179
type: BiochemicalReaction
participant stoichiometry: Compound/PW C001099 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000911 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000543 Cytosol/Stoichiometry/1.0
right: Coenzyme A
right: Malonic acid
spontaneous: false
left: Malonyl-CoA
name: Malonyl-CoA → Coenzyme A + Malonic acid
conversion direction: LEFT_TO_RIGHT

Reference/BioCyc MALONATE
type: UnificationXref
id: MALONATE
db: BioCyc

Myristic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 28875
xref: Reference/CAS 544-63-8
xref: Reference/ChemSpider 10539
xref: Reference/HMDB HMDB0000806
xref: Reference/KEGG Compound C06424
xref: Reference/PubChem-compound 11005
chemical formula: C14H28O2
molecular weight: 228.20892
structure: ChemicalStructure/PW C000643

(R)-3-Hydroxydodecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: (R)-3-Hydroxydodecanoic acid

ChemicalStructure/PW C000029
type: ChemicalStructure
structure format: SMILES
structure data: CC(O)=O

Reference/CAS 4380-91-0
type: UnificationXref
id: 4380-91-0
db: CAS

ChemicalStructure/PW C000028
type: ChemicalStructure
structure format: SMILES
structure data: CCCC(O)=O

Reference/UniProt P49327
type: UnificationXref
id: P49327
db: UniProt

Reference/HMDB HMDB0000039
type: UnificationXref
id: HMDB0000039
db: HMDB

Reference/CAS 57-10-3
type: UnificationXref
id: 57-10-3
db: CAS

ChemicalStructure/PW C000391
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCCC(O)=O

Caproic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 30776
xref: Reference/PubChem-compound 8892
xref: Reference/HMDB HMDB0000535
xref: Reference/CAS 142-62-1
xref: Reference/KEGG Compound C01585
xref: Reference/ChemSpider 8552
chemical formula: C6H12O2
molecular weight: 116.08373
structure: ChemicalStructure/PW C000412

Reference/ChemSpider 2863
type: UnificationXref
id: 2863
db: ChemSpider

Reference/KEGG Compound C02367
type: UnificationXref
id: C02367
db: KEGG Compound

Reference/ChemSpider 428
type: UnificationXref
id: 428
db: ChemSpider

Reference/KEGG Compound C02122
type: UnificationXref
id: C02122
db: KEGG Compound

Reference/ChemSpider 21865352
type: UnificationXref
id: 21865352
db: ChemSpider

ChemicalStructure/PW C000042
type: ChemicalStructure
structure format: SMILES
structure data: CC(=O)CC(O)=O

Reaction2197
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006736 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006735 Cytosol/Stoichiometry/1.0
right: trans-Dodec-2-enoic acid
spontaneous: false
left: (R)-3-Hydroxydodecanoic acid
name: (R)-3-Hydroxydodecanoic acid → trans-Dodec-2-enoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2198
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006736 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000497 Cytosol/Stoichiometry/1.0
right: Dodecanoic acid
spontaneous: false
left: trans-Dodec-2-enoic acid
name: trans-Dodec-2-enoic acid → Dodecanoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2195
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006734 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000543 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000391 Cytosol/Stoichiometry/1.0
right: 3-oxododecanoic acid
spontaneous: false
left: Malonic acid
left: Capric acid
name: Capric acid + Malonic acid → 3-oxododecanoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2196
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006734 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006735 Cytosol/Stoichiometry/1.0
right: (R)-3-Hydroxydodecanoic acid
spontaneous: false
left: 3-oxododecanoic acid
name: 3-oxododecanoic acid → (R)-3-Hydroxydodecanoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2193
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006732 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006733 Cytosol/Stoichiometry/1.0
right: trans-Dec-2-enoic acid
spontaneous: false
left: (R)-3-Hydroxydecanoic acid
name: (R)-3-Hydroxydecanoic acid → trans-Dec-2-enoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2194
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000391 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006733 Cytosol/Stoichiometry/1.0
right: Capric acid
spontaneous: false
left: trans-Dec-2-enoic acid
name: trans-Dec-2-enoic acid → Capric acid
conversion direction: LEFT_TO_RIGHT

Reference/HMDB HMDB0000042
type: UnificationXref
id: HMDB0000042
db: HMDB

Reference/CAS 143-07-7
type: UnificationXref
id: 143-07-7
db: CAS

(R)-3-Hydroxyoctanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: (R)-3-Hydroxyoctanoic acid

Reference/KEGG Compound C00083
type: UnificationXref
id: C00083
db: KEGG Compound

SubPathwayInteraction740
type: Interaction
name: SubPathway740Reaction
name: SubPathwayReaction
participant: Acetyl-CoA

trans-2-Octenoic acid
type: SmallMoleculeReference
xref: Reference/ChemSpider 4445841
xref: Reference/HMDB HMDB0001568
xref: Reference/CAS 1871-67-6
xref: Reference/ChEBI CHEBI 86544
xref: Reference/PubChem-compound 5282714
chemical formula: C8H14O2
molecular weight: 142.09938
structure: ChemicalStructure/PW C001204

Reference/ChemSpider 4450466
type: UnificationXref
id: 4450466
db: ChemSpider

Reference/ChemSpider 844
type: UnificationXref
id: 844
db: ChemSpider

Reference/PubChem-compound 5312861
type: UnificationXref
id: 5312861
db: PubChem-compound

Reference/ChemSpider 960
type: UnificationXref
id: 960
db: ChemSpider

Reference/HMDB HMDB0000060
type: UnificationXref
id: HMDB0000060
db: HMDB

Reference/ChemSpider 388729
type: UnificationXref
id: 388729
db: ChemSpider

Caprylic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 379
xref: Reference/CAS 124-07-2
xref: Reference/ChEBI CHEBI 28837
xref: Reference/ChemSpider 370
xref: Reference/HMDB HMDB0000482
xref: Reference/BioCyc CPD-195
xref: Reference/KEGG Compound C06423
chemical formula: C8H16O2
molecular weight: 144.11504
structure: ChemicalStructure/PW C000366

Reference/PubChem-compound 96
type: UnificationXref
id: 96
db: PubChem-compound

Acetic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Acetic acid

Reference/PubChem-compound 985
type: UnificationXref
id: 985
db: PubChem-compound

Acetoacetic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Acetoacetic acid

Reference/PubChem-compound 444493
type: UnificationXref
id: 444493
db: PubChem-compound

Reference/BioCyc 1OXO2YLIDENE
type: UnificationXref
id: 1OXO2YLIDENE
db: BioCyc

Reference/ChemSpider 399829
type: UnificationXref
id: 399829
db: ChemSpider

ChemicalStructure/PW C006727
type: ChemicalStructure
structure format: SMILES
structure data: CCC\C=C\C(O)=O

ChemicalStructure/PW C006726
type: ChemicalStructure
structure format: SMILES
structure data: CCC[C@@H](O)CC(O)=O

ChemicalStructure/PW C006729
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCC(=O)CC(O)=O

Reference/PubChem-compound 10663
type: UnificationXref
id: 10663
db: PubChem-compound

ChemicalStructure/PW C006728
type: ChemicalStructure
structure format: SMILES
structure data: C\C=C\C(O)=O

ChemicalStructure/PW C006734
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCCC(=O)CC(O)=O

ChemicalStructure/PW C006733
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCC\C=C\C(O)=O

Reference/PubChem-compound 2969
type: UnificationXref
id: 2969
db: PubChem-compound

ChemicalStructure/PW C006736
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCC\C=C\C(O)=O

Reference/BioCyc ACETYL-COA
type: UnificationXref
id: ACETYL-COA
db: BioCyc

ChemicalStructure/PW C006735
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](O)(CCCCCCCCC)CC(O)=O

ChemicalStructure/PW C006730
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](O)(CCCCC)CC(O)=O

Compound/PW C000911 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Malonyl-CoA
stoichiometric coefficient: 1.0

ChemicalStructure/PW C006732
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](O)(CCCCCCC)CC(O)=O

ChemicalStructure/PW C006731
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCC(=O)CC(O)=O

Reference/ChemSpider 3756
type: UnificationXref
id: 3756
db: ChemSpider

Reference/PubChem-compound 454064
type: UnificationXref
id: 454064
db: PubChem-compound

3-oxooctanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: 3-oxooctanoic acid

ChemicalStructure/PW C006738
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](O)(CCCCCCCCCCC)CC(O)=O

ChemicalStructure/PW C006737
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCCCCC(=O)CC(O)=O

ChemicalStructure/PW C006739
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCCCC\C=C\C(O)=O

ChemicalStructure/PW C006741
type: ChemicalStructure
structure format: SMILES
structure data: [H][C@@](O)(CCCCCCCCCCCCC)CC(O)=O

ChemicalStructure/PW C006740
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCCCCCCC(=O)CC(O)=O

ChemicalStructure/PW C006742
type: ChemicalStructure
structure format: SMILES
structure data: [H]\C(CCCCCCCCCCCCC)=C(\[H])C(O)=O

Reference/ChEBI CHEBI 44680
type: UnificationXref
id: CHEBI:44680
db: ChEBI

Reference/HMDB HMDB0001175
type: UnificationXref
id: HMDB0001175
db: HMDB

Trans-Hexa-dec-2-enoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Trans-Hexa-dec-2-enoic acid

Acetic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15366
xref: Reference/BioCyc ACET
xref: Reference/CAS 64-19-7
xref: Reference/KEGG Compound C00033
xref: Reference/ChemSpider 171
xref: Reference/HMDB HMDB0000042
xref: Reference/PubChem-compound 176
chemical formula: C2H4O2
molecular weight: 60.02113
structure: ChemicalStructure/PW C000029

Butyric acid
type: SmallMoleculeReference
xref: Reference/CAS 107-92-6
xref: Reference/ChemSpider 259
xref: Reference/HMDB HMDB0000039
xref: Reference/ChEBI CHEBI 30772
xref: Reference/KEGG Compound C00246
xref: Reference/PubChem-compound 264
chemical formula: C4H8O2
molecular weight: 88.05243
structure: ChemicalStructure/PW C000028

Reference/KEGG Compound C01089
type: UnificationXref
id: C01089
db: KEGG Compound

Reference/ChemSpider 8552
type: UnificationXref
id: 8552
db: ChemSpider

Reference/ChemSpider 259
type: UnificationXref
id: 259
db: ChemSpider

Capric acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 2969
xref: Reference/BioCyc 3-OXODODECANOATE
xref: Reference/ChEBI CHEBI 30813
xref: Reference/HMDB HMDB0000511
xref: Reference/ChemSpider 2863
xref: Reference/KEGG Compound C01571
xref: Reference/CAS 334-48-5
chemical formula: C10H20O2
molecular weight: 172.14633
structure: ChemicalStructure/PW C000391

Reference/CAS 64-19-7
type: UnificationXref
id: 64-19-7
db: CAS

Reference/HMDB HMDB0000535
type: UnificationXref
id: HMDB0000535
db: HMDB

Reference/ChemSpider 370
type: UnificationXref
id: 370
db: ChemSpider

Acetyl-CoA
type: SmallMolecule
cellular location: Cytosol
entity reference: Acetyl-CoA
name: SubPathwayOutput

Reference/PubChem-compound 439717
type: UnificationXref
id: 439717
db: PubChem-compound

Reference/CAS 13283-91-5
type: UnificationXref
id: 13283-91-5
db: CAS

Reference/KEGG Compound C06424
type: UnificationXref
id: C06424
db: KEGG Compound

Reference/KEGG Compound C06423
type: UnificationXref
id: C06423
db: KEGG Compound

Reference/PubChem-compound 6816
type: UnificationXref
id: 6816
db: PubChem-compound

Reference/CAS 141-82-2
type: UnificationXref
id: 141-82-2
db: CAS

Acetoacetic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15344
xref: Reference/HMDB HMDB0000060
xref: Reference/BioCyc 3-KETOBUTYRATE
xref: Reference/KEGG Compound C00164
xref: Reference/PubChem-compound 96
xref: Reference/CAS 541-50-4
xref: Reference/ChemSpider 94
chemical formula: C4H6O3
molecular weight: 102.03169
structure: ChemicalStructure/PW C000042

Malonyl-CoA
type: SmallMolecule
cellular location: Cytosol
entity reference: Malonyl-CoA

3-oxodecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: 3-oxodecanoic acid

SubPathwayInteraction739
type: Interaction
name: SubPathwayReaction
name: SubPathway739Reaction
participant: Palmitic acid

Reference/PubChem-compound 264
type: UnificationXref
id: 264
db: PubChem-compound

Reference/ChemSpider 8373213
type: UnificationXref
id: 8373213
db: ChemSpider

Reference/GENE ONTOLOGY GO 0005829
type: UnificationXref
id: GO:0005829
db: GENE ONTOLOGY

trans-2-Octenoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: trans-2-Octenoic acid

Fatty Acid Metabolism
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway739
pathway component: SubPathwayInteraction739
xref: Reference/SMPDB SMP0000051
xref: Reference/PathWhiz PW000023
name: SubPathway

Reference/ChEBI CHEBI 20067
type: UnificationXref
id: CHEBI:20067
db: ChEBI

Dodecanoic acid
type: SmallMoleculeReference
xref: Reference/ChemSpider 3756
xref: Reference/KEGG Compound C02679
xref: Reference/CAS 143-07-7
xref: Reference/ChEBI CHEBI 30805
xref: Reference/HMDB HMDB0000638
xref: Reference/PubChem-compound 3893
chemical formula: C12H24O2
molecular weight: 200.17763
structure: ChemicalStructure/PW C000497

Citric Acid Cycle
type: Pathway
pathway order: SubPathwayInteractionSteps/SubPathway740
pathway component: SubPathwayInteraction740
xref: Reference/PathWhiz PW000005
xref: Reference/SMPDB SMP0000057
name: SubPathway

Reference/PubChem-compound 379
type: UnificationXref
id: 379
db: PubChem-compound

Compound/PW C000643 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Myristic acid
stoichiometric coefficient: 1.0

trans-Hex-2-enoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: trans-Hex-2-enoic acid

3-Hydroxybutyric acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0000357
xref: Reference/BioCyc CPD-335
xref: Reference/CAS 300-85-6
xref: Reference/ChEBI CHEBI 20067
xref: Reference/KEGG Compound C01089
xref: Reference/PubChem-compound 441
xref: Reference/ChemSpider 428
chemical formula: C4H8O3
molecular weight: 104.04734
structure: ChemicalStructure/PW C000258

Compound/PW C006730 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: (R)-3-Hydroxyoctanoic acid
stoichiometric coefficient: 1.0

Reference/CAS 3724-65-0
type: UnificationXref
id: 3724-65-0
db: CAS

Reference/CAS 107-92-6
type: UnificationXref
id: 107-92-6
db: CAS

Palmitic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 985
xref: Reference/KEGG Compound C00249
xref: Reference/ChemSpider 960
xref: Reference/ChEBI CHEBI 15756
xref: Reference/BioCyc CPD-8475
xref: Reference/CAS 57-10-3
xref: Reference/HMDB HMDB0000220
chemical formula: C16H32O2
molecular weight: 256.24023
structure: ChemicalStructure/PW C000145

Reference/ChemSpider 114191
type: UnificationXref
id: 114191
db: ChemSpider

Butyric acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Butyric acid

Compound/PW C006729 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-oxooctanoic acid
stoichiometric coefficient: 1.0

Reference/BioCyc CPD-335
type: UnificationXref
id: CPD-335
db: BioCyc

trans-Hex-2-enoic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0010719
xref: Reference/PubChem-compound 5282707
xref: Reference/ChemSpider 4445834
chemical formula: C6H10O2
molecular weight: 114.06808
structure: ChemicalStructure/PW C006727

Reference/ChEBI CHEBI 28837
type: UnificationXref
id: CHEBI:28837
db: ChEBI

But-2-enoic acid
type: SmallMoleculeReference
xref: Reference/BioCyc 1OXO2YLIDENE
xref: Reference/PubChem-compound 637090
xref: Reference/KEGG Compound C01771
xref: Reference/HMDB HMDB0010720
xref: Reference/ChemSpider 552744
xref: Reference/CAS 3724-65-0
xref: Reference/ChEBI CHEBI 41131
chemical formula: C4H6O2
molecular weight: 86.03678
structure: ChemicalStructure/PW C006728

3-oxohexanoic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 28422
xref: Reference/HMDB HMDB0010717
xref: Reference/ChemSpider 388729
xref: Reference/CAS 4380-91-0
xref: Reference/KEGG Compound C02122
xref: Reference/PubChem-compound 439658
chemical formula: C6H10O3
molecular weight: 130.06299
structure: ChemicalStructure/PW C006725

(R)-3-Hydroxyhexanoic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0010718
xref: Reference/PubChem-compound 10197713
xref: Reference/ChemSpider 8373213
chemical formula: C6H12O3
molecular weight: 132.07864
structure: ChemicalStructure/PW C006726

Reference/PubChem-compound 441
type: UnificationXref
id: 441
db: PubChem-compound

3-oxooctanoic acid
type: SmallMoleculeReference
xref: Reference/ChemSpider 114191
xref: Reference/CAS 13283-91-5
xref: Reference/PubChem-compound 128859
xref: Reference/HMDB HMDB0010721
xref: Reference/ChEBI CHEBI 44680
chemical formula: C8H14O3
molecular weight: 158.0943
structure: ChemicalStructure/PW C006729

Compound/PW C000029 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acetic acid
stoichiometric coefficient: 1.0

(R)-3-Hydroxyoctanoic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 5312861
xref: Reference/ChEBI CHEBI 37099
xref: Reference/HMDB HMDB0010722
xref: Reference/ChemSpider 4472286
chemical formula: C8H16O3
molecular weight: 160.10994
structure: ChemicalStructure/PW C006730

3-oxodecanoic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0010724
xref: Reference/PubChem-compound 5282982
xref: Reference/ChemSpider 4446109
xref: Reference/ChEBI CHEBI 37157
chemical formula: C10H18O3
molecular weight: 186.1256
structure: ChemicalStructure/PW C006731

Reference/HMDB HMDB0001423
type: UnificationXref
id: HMDB0001423
db: HMDB

Compound/PW C006731 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-oxodecanoic acid
stoichiometric coefficient: 1.0

Reference/PubChem-compound 5282743
type: UnificationXref
id: 5282743
db: PubChem-compound

3-oxododecanoic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0010727
xref: Reference/KEGG Compound C02367
xref: Reference/PubChem-compound 439717
xref: Reference/ChemSpider 388783
xref: Reference/ChEBI CHEBI 18037
chemical formula: C12H22O3
molecular weight: 214.15689
structure: ChemicalStructure/PW C006734

(R)-3-Hydroxydodecanoic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0010728
xref: Reference/ChemSpider 4472229
xref: Reference/ChEBI CHEBI 43197
xref: Reference/PubChem-compound 5312804
chemical formula: C12H24O3
molecular weight: 216.17255
structure: ChemicalStructure/PW C006735

Reference/PubChem-compound 5282982
type: UnificationXref
id: 5282982
db: PubChem-compound

(R)-3-Hydroxydecanoic acid
type: SmallMoleculeReference
xref: Reference/ChemSpider 4472223
xref: Reference/HMDB HMDB0010725
xref: Reference/PubChem-compound 5312798
chemical formula: C10H20O3
molecular weight: 188.14125
structure: ChemicalStructure/PW C006732

ChemicalStructure/PW C000497
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCCCCC(O)=O

trans-Dec-2-enoic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 5282724
xref: Reference/ChemSpider 4445851
xref: Reference/HMDB HMDB0010726
xref: Reference/ChEBI CHEBI 50467
xref: Reference/CAS 334-49-6
chemical formula: C10H18O2
molecular weight: 170.13068
structure: ChemicalStructure/PW C006733

Reference/HMDB HMDB0000691
type: UnificationXref
id: HMDB0000691
db: HMDB

3-oxododecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: 3-oxododecanoic acid

Reference/ChEBI CHEBI 15531
type: UnificationXref
id: CHEBI:15531
db: ChEBI

Compound/PW C006738 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: (R)-3-Hydroxy-tetradecanoic acid
stoichiometric coefficient: 1.0

Compound/PW C000940 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acetyl-CoA
stoichiometric coefficient: 1.0

Reference/UniProt Q13085
type: UnificationXref
id: Q13085
db: UniProt

Reference/CAS 544-63-8
type: UnificationXref
id: 544-63-8
db: CAS

Reference/ChemSpider 4446124
type: UnificationXref
id: 4446124
db: ChemSpider

Reference/ChemSpider 10539
type: UnificationXref
id: 10539
db: ChemSpider

(R)-3-Hydroxy-tetradecanoic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 5288266
xref: Reference/ChEBI CHEBI 42539
xref: Reference/HMDB HMDB0010731
xref: Reference/ChemSpider 4450466
chemical formula: C14H28O3
molecular weight: 244.20384
structure: ChemicalStructure/PW C006738

trans-Tetra-dec-2-enoic acid
type: SmallMoleculeReference
xref: Reference/ChemSpider 4445865
xref: Reference/ChEBI CHEBI 37271
xref: Reference/HMDB HMDB0010732
xref: Reference/PubChem-compound 5282738
chemical formula: C14H26O2
molecular weight: 226.19328
structure: ChemicalStructure/PW C006739

trans-Dodec-2-enoic acid
type: SmallMoleculeReference
xref: Reference/HMDB HMDB0010729
xref: Reference/ChEBI CHEBI 37162
xref: Reference/PubChem-compound 5282729
xref: Reference/ChemSpider 4445856
chemical formula: C12H22O2
molecular weight: 198.16199
structure: ChemicalStructure/PW C006736

ChemicalStructure/PW C000258
type: ChemicalStructure
structure format: SMILES
structure data: CC(O)CC(O)=O

3-oxotetradecanoic acid
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 37270
xref: Reference/PubChem-compound 454064
xref: Reference/ChemSpider 399829
xref: Reference/HMDB HMDB0010730
chemical formula: C14H26O3
molecular weight: 242.1882
structure: ChemicalStructure/PW C006737

(R)-3-Hydroxy-hexadecanoic acid
type: SmallMoleculeReference
xref: Reference/ChemSpider 21865352
xref: Reference/PubChem-compound 15569776
xref: Reference/HMDB HMDB0010734
xref: Reference/ChEBI CHEBI 38247
chemical formula: C16H32O3
molecular weight: 272.23514
structure: ChemicalStructure/PW C006741

Trans-Hexa-dec-2-enoic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 5282743
xref: Reference/ChEBI CHEBI 37252
xref: Reference/ChemSpider 4445870
xref: Reference/HMDB HMDB0010735
chemical formula: C16H30O2
molecular weight: 254.22458
structure: ChemicalStructure/PW C006742

Reference/SMPDB SMP0000051
type: UnificationXref
id: SMP0000051
db: SMPDB

3-oxohexadecanoic acid
type: SmallMoleculeReference
xref: Reference/PubChem-compound 5282997
xref: Reference/ChEBI CHEBI 37251
xref: Reference/ChemSpider 4446124
xref: Reference/HMDB HMDB0010733
chemical formula: C16H30O3
molecular weight: 270.21948
structure: ChemicalStructure/PW C006740

ChemicalStructure/PW C000145
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCCCCCCCCC(O)=O

Reference/SMPDB SMP0000057
type: UnificationXref
id: SMP0000057
db: SMPDB

Compound/PW C000391 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Capric acid
stoichiometric coefficient: 1.0

Reference/PubChem-compound 5282738
type: UnificationXref
id: 5282738
db: PubChem-compound

Reference/HMDB HMDB0000220
type: UnificationXref
id: HMDB0000220
db: HMDB

Compound/PW C006736 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: trans-Dodec-2-enoic acid
stoichiometric coefficient: 1.0

Reference/PubChem-compound 637090
type: UnificationXref
id: 637090
db: PubChem-compound

Capric acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Capric acid

Reference/PubChem-compound 3893
type: UnificationXref
id: 3893
db: PubChem-compound

Reference/HMDB HMDB0001568
type: UnificationXref
id: HMDB0001568
db: HMDB

Reference/HMDB HMDB0000357
type: UnificationXref
id: HMDB0000357
db: HMDB

Reference/HMDB HMDB0001206
type: UnificationXref
id: HMDB0001206
db: HMDB

Compound/PW C006737 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-oxotetradecanoic acid
stoichiometric coefficient: 1.0

Reference/PubChem-compound 10197713
type: UnificationXref
id: 10197713
db: PubChem-compound

Reference/PubChem-compound 439658
type: UnificationXref
id: 439658
db: PubChem-compound

Reference/ChEBI CHEBI 15756
type: UnificationXref
id: CHEBI:15756
db: ChEBI

ChemicalStructure/PW C001204
type: ChemicalStructure
structure format: SMILES
structure data: CCCCC\C=C\C(O)=O

3-oxotetradecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: 3-oxotetradecanoic acid

Reference/PubChem-compound 5282997
type: UnificationXref
id: 5282997
db: PubChem-compound

ChemicalStructure/PW C000366
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCC(O)=O

Reference/ChEBI CHEBI 43197
type: UnificationXref
id: CHEBI:43197
db: ChEBI

Reference/HMDB HMDB0000482
type: UnificationXref
id: HMDB0000482
db: HMDB

Compound/PW C000497 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Dodecanoic acid
stoichiometric coefficient: 1.0

Reference/ChemSpider 4446109
type: UnificationXref
id: 4446109
db: ChemSpider

Acetyl-CoA carboxylase 1
type: Protein
cellular location: Cytosol
entity reference: Acetyl-CoA carboxylase 1

(R)-3-Hydroxydecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: (R)-3-Hydroxydecanoic acid

Reference/BioCyc 3-KETOBUTYRATE
type: UnificationXref
id: 3-KETOBUTYRATE
db: BioCyc

Reference/HMDB HMDB0010733
type: UnificationXref
id: HMDB0010733
db: HMDB

Reference/HMDB HMDB0010732
type: UnificationXref
id: HMDB0010732
db: HMDB

Reference/HMDB HMDB0010731
type: UnificationXref
id: HMDB0010731
db: HMDB

Caprylic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Caprylic acid

Reference/HMDB HMDB0010730
type: UnificationXref
id: HMDB0010730
db: HMDB

Reference/HMDB HMDB0000806
type: UnificationXref
id: HMDB0000806
db: HMDB

Reference/PubChem-compound 23511544
type: UnificationXref
id: 23511544
db: PubChem-compound

Reference/ChEBI CHEBI 1146900
type: UnificationXref
id: CHEBI:1146900
db: ChEBI

Reference/HMDB HMDB0010729
type: UnificationXref
id: HMDB0010729
db: HMDB

Reference/HMDB HMDB0010728
type: UnificationXref
id: HMDB0010728
db: HMDB

Reference/HMDB HMDB0010727
type: UnificationXref
id: HMDB0010727
db: HMDB

Reference/HMDB HMDB0010726
type: UnificationXref
id: HMDB0010726
db: HMDB

Reference/HMDB HMDB0010725
type: UnificationXref
id: HMDB0010725
db: HMDB

Reference/HMDB HMDB0010724
type: UnificationXref
id: HMDB0010724
db: HMDB

Compound/PW C000543 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Malonic acid
stoichiometric coefficient: 1.0

Reference/PubChem-compound 5282707
type: UnificationXref
id: 5282707
db: PubChem-compound

(R)-3-Hydroxyhexanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: (R)-3-Hydroxyhexanoic acid

Reference/ChemSpider 4445870
type: UnificationXref
id: 4445870
db: ChemSpider

Reference/BioCyc CO-A
type: UnificationXref
id: CO-A
db: BioCyc

Reference/BioCyc CPD-8475
type: UnificationXref
id: CPD-8475
db: BioCyc

Reference/CAS 72-89-9
type: UnificationXref
id: 72-89-9
db: CAS

Compound/PW C000258 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: 3-Hydroxybutyric acid
stoichiometric coefficient: 1.0

ReactionCatalysis2028
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2179
control type: ACTIVATION

ReactionCatalysis2027
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2178
control type: ACTIVATION

Reference/ChEBI CHEBI 28875
type: UnificationXref
id: CHEBI:28875
db: ChEBI

Coenzyme A
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 1146900
xref: Reference/HMDB HMDB0001423
xref: Reference/PubChem-compound 6816
xref: Reference/BioCyc CO-A
xref: Reference/ChemSpider 6557
xref: Reference/CAS 85-61-0
xref: Reference/KEGG Compound C00010
chemical formula: C21H36N7O16P3S
molecular weight: 767.11523
structure: ChemicalStructure/PW C001099

ReactionCatalysis2029
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2180
control type: ACTIVATION

Reference/HMDB HMDB0010735
type: UnificationXref
id: HMDB0010735
db: HMDB

Reference/HMDB HMDB0010734
type: UnificationXref
id: HMDB0010734
db: HMDB

ReactionCatalysis2026
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2177
control type: ACTIVATION

Reference/ChemSpider 10213
type: UnificationXref
id: 10213
db: ChemSpider

Reference/PubChem-compound 5288266
type: UnificationXref
id: 5288266
db: PubChem-compound

Acetyl-CoA carboxylase 1
type: ProteinReference
xref: Reference/UniProt Q13085
organism: Homo sapiens

Reference/ChemSpider 4445865
type: UnificationXref
id: 4445865
db: ChemSpider

Reference/ChemSpider 6557
type: UnificationXref
id: 6557
db: ChemSpider

Homo sapiens
type: BioSource
xref: Reference/TAXONOMY 9606

ChemicalStructure/PW C000940
type: ChemicalStructure
structure format: SMILES

Reference/CAS 524-14-1
type: UnificationXref
id: 524-14-1
db: CAS

Reference/ChEBI CHEBI 50467
type: UnificationXref
id: CHEBI:50467
db: ChEBI

ReactionCatalysis2039
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2190
control type: ACTIVATION

Reference/PubChem-compound 5282724
type: UnificationXref
id: 5282724
db: PubChem-compound

ReactionCatalysis2038
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2189
control type: ACTIVATION

Fatty acid synthase
type: Protein
cellular location: Cytosol
entity reference: Fatty acid synthase

Reference/ChEBI CHEBI 30813
type: UnificationXref
id: CHEBI:30813
db: ChEBI

Malonic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Malonic acid

Reference/CAS 300-85-6
type: UnificationXref
id: 300-85-6
db: CAS

ReactionCatalysis2031
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2182
control type: ACTIVATION

ReactionCatalysis2030
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2181
control type: ACTIVATION

ReactionCatalysis2033
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2184
control type: ACTIVATION

ReactionCatalysis2032
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2183
control type: ACTIVATION

Reference/PubChem-compound 5282729
type: UnificationXref
id: 5282729
db: PubChem-compound

Fatty Acid Biosynthesis
type: Pathway
pathway order: PathwayEnzymeReaction/2980
pathway order: PathwayEnzymeReaction/2981
pathway order: PathwayEnzymeReaction/2982
pathway order: PathwayEnzymeReaction/2976
pathway order: PathwayEnzymeReaction/2977
pathway order: PathwayEnzymeReaction/2978
pathway order: PathwayEnzymeReaction/2979
pathway order: PathwayEnzymeReaction/2972
pathway order: PathwayEnzymeReaction/2994
pathway order: PathwayEnzymeReaction/2973
pathway order: PathwayEnzymeReaction/2995
pathway order: PathwayEnzymeReaction/2974
pathway order: PathwayEnzymeReaction/2996
pathway order: PathwayEnzymeReaction/2975
pathway order: PathwaySubPathway/740
pathway order: PathwayEnzymeReaction/2990
pathway order: PathwayEnzymeReaction/2970
pathway order: PathwayEnzymeReaction/2971
pathway order: PathwayEnzymeReaction/2943
pathway order: PathwayEnzymeReaction/2965
pathway order: PathwayEnzymeReaction/2987
pathway order: PathwayEnzymeReaction/2966
pathway order: PathwayEnzymeReaction/2988
pathway order: PathwayEnzymeReaction/2967
pathway order: PathwayEnzymeReaction/2989
pathway order: PathwayEnzymeReaction/2968
pathway order: PathwayEnzymeReaction/2983
pathway order: PathwayEnzymeReaction/2984
pathway order: PathwayEnzymeReaction/2963
pathway order: PathwaySubPathway/739
pathway order: PathwayEnzymeReaction/2964
pathway order: PathwayEnzymeReaction/2986
pathway order: PathwayEnzymeReaction/2969
pathway component: ReactionCatalysis2050
pathway component: Reaction2191
pathway component: Reaction2192
pathway component: Reaction2190
pathway component: Reaction2188
pathway component: Reaction2189
pathway component: Reaction2186
pathway component: Reaction2187
pathway component: Reaction2184
pathway component: Reaction2185
pathway component: Reaction2182
pathway component: Reaction2183
pathway component: ReactionCatalysis2053
pathway component: ReactionCatalysis2052
pathway component: ReactionCatalysis2055
pathway component: ReactionCatalysis2054
pathway component: ReactionCatalysis2057
pathway component: ReactionCatalysis2056
pathway component: Reaction2180
pathway component: Reaction2181
pathway component: Reaction2177
pathway component: ReactionCatalysis2028
pathway component: Reaction2178
pathway component: ReactionCatalysis2027
pathway component: ReactionCatalysis2029
pathway component: Reaction1248
pathway component: ReactionCatalysis2026
pathway component: Reaction2179
pathway component: ReactionCatalysis2039
pathway component: ReactionCatalysis2038
pathway component: Reaction2200
pathway component: Fatty Acid Metabolism
pathway component: ReactionCatalysis2031
pathway component: Reaction2207
pathway component: ReactionCatalysis2030
pathway component: Reaction2208
pathway component: ReactionCatalysis2033
pathway component: Reaction2205
pathway component: ReactionCatalysis2032
pathway component: Reaction2206
pathway component: ReactionCatalysis2035
pathway component: Reaction2203
pathway component: ReactionCatalysis2034
pathway component: Reaction2204
pathway component: ReactionCatalysis962
pathway component: ReactionCatalysis2037

ReactionCatalysis2035
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2186
control type: ACTIVATION

ReactionCatalysis2034
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2185
control type: ACTIVATION

ReactionCatalysis2037
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2188
control type: ACTIVATION

ReactionCatalysis2036
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2187
control type: ACTIVATION

Reference/ChemSpider 4445851
type: UnificationXref
id: 4445851
db: ChemSpider

ReactionCatalysis2040
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2191
control type: ACTIVATION

ReactionCatalysis2049
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2200
control type: ACTIVATION

Palmitic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: Palmitic acid
name: SubPathwayInput

Compound/PW C000145 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Palmitic acid
stoichiometric coefficient: 1.0

ReactionCatalysis2042
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2193
control type: ACTIVATION

ReactionCatalysis2041
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2192
control type: ACTIVATION

Reference/ChEBI CHEBI 30805
type: UnificationXref
id: CHEBI:30805
db: ChEBI

ReactionCatalysis2044
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2195
control type: ACTIVATION

ReactionCatalysis2043
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2194
control type: ACTIVATION

ReactionCatalysis2046
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2197
control type: ACTIVATION

Compound/PW C000028 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Butyric acid
stoichiometric coefficient: 1.0

ReactionCatalysis2045
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2196
control type: ACTIVATION

Reference/ChemSpider 4445856
type: UnificationXref
id: 4445856
db: ChemSpider

Reference/PubChem-compound 5282714
type: UnificationXref
id: 5282714
db: PubChem-compound

ReactionCatalysis2047
type: Catalysis
controller: Fatty acid synthase
controlled: Reaction2198
control type: ACTIVATION

Reference/TAXONOMY 9606
type: UnificationXref
id: 9606
db: TAXONOMY

Reference/ChEBI CHEBI 15366
type: UnificationXref
id: CHEBI:15366
db: ChEBI

Reference/PathWhiz PW000023
type: UnificationXref
id: PW000023
db: PathWhiz

Reference/ChEBI CHEBI 37271
type: UnificationXref
id: CHEBI:37271
db: ChEBI

Reference/ChemSpider 392413
type: UnificationXref
id: 392413
db: ChemSpider

Reference/ChEBI CHEBI 37270
type: UnificationXref
id: CHEBI:37270
db: ChEBI

ChemicalStructure/PW C000643
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCCCCCCCCCC(O)=O

Reference/ChEBI CHEBI 38247
type: UnificationXref
id: CHEBI:38247
db: ChEBI

Compound/PW C000042 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Acetoacetic acid
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 37157
type: UnificationXref
id: CHEBI:37157
db: ChEBI

Reference/ChemSpider 171
type: UnificationXref
id: 171
db: ChemSpider

Malonyl-CoA
type: SmallMoleculeReference
xref: Reference/ChEBI CHEBI 15531
xref: Reference/KEGG Compound C00083
xref: Reference/BioCyc MALONYL-COA
xref: Reference/CAS 524-14-1
xref: Reference/HMDB HMDB0001175
xref: Reference/PubChem-compound 10663
xref: Reference/ChemSpider 10213
chemical formula: C24H38N7O19P3S
molecular weight: 853.1156
structure: ChemicalStructure/PW C000911

Reference/SMPDB SMP0000456
type: UnificationXref
id: SMP0000456
db: SMPDB

ChemicalStructure/PW C000412
type: ChemicalStructure
structure format: SMILES
structure data: CCCCCC(O)=O

ChemicalStructure/PW C000543
type: ChemicalStructure
structure format: SMILES
structure data: OC(=O)CC(O)=O

Reference/CAS 124-07-2
type: UnificationXref
id: 124-07-2
db: CAS

(R)-3-Hydroxy-tetradecanoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: (R)-3-Hydroxy-tetradecanoic acid

Reference/PubChem-compound 128859
type: UnificationXref
id: 128859
db: PubChem-compound

Compound/PW C001204 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: trans-2-Octenoic acid
stoichiometric coefficient: 1.0

Reference/ChEBI CHEBI 15344
type: UnificationXref
id: CHEBI:15344
db: ChEBI

trans-Dec-2-enoic acid
type: SmallMolecule
cellular location: Cytosol
entity reference: trans-Dec-2-enoic acid

Reference/ChEBI CHEBI 37251
type: UnificationXref
id: CHEBI:37251
db: ChEBI

Reference/ChEBI CHEBI 37252
type: UnificationXref
id: CHEBI:37252
db: ChEBI

Reference/PathWhiz PW000005
type: UnificationXref
id: PW000005
db: PathWhiz

Reference/ChEBI CHEBI 28422
type: UnificationXref
id: CHEBI:28422
db: ChEBI

Reaction2200
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000543 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006737 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000497 Cytosol/Stoichiometry/1.0
right: 3-oxotetradecanoic acid
spontaneous: false
left: Malonic acid
left: Dodecanoic acid
name: Dodecanoic acid + Malonic acid → 3-oxotetradecanoic acid
conversion direction: LEFT_TO_RIGHT

Compound/PW C001099 Cytosol/Stoichiometry/1.0
type: Stoichiometry
physical entity: Coenzyme A
stoichiometric coefficient: 1.0

Reference/HMDB HMDB0000511
type: UnificationXref
id: HMDB0000511
db: HMDB

Reaction2207
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006741 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006742 Cytosol/Stoichiometry/1.0
right: Trans-Hexa-dec-2-enoic acid
spontaneous: false
left: (R)-3-Hydroxy-hexadecanoic acid
name: (R)-3-Hydroxy-hexadecanoic acid → Trans-Hexa-dec-2-enoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2208
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006742 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000145 Cytosol/Stoichiometry/1.0
right: Palmitic acid
spontaneous: false
left: Trans-Hexa-dec-2-enoic acid
name: Trans-Hexa-dec-2-enoic acid → Palmitic acid
conversion direction: LEFT_TO_RIGHT

Reaction2205
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000643 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006740 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C000543 Cytosol/Stoichiometry/1.0
right: 3-oxohexadecanoic acid
spontaneous: false
left: Malonic acid
left: Myristic acid
name: Malonic acid + Myristic acid → 3-oxohexadecanoic acid
conversion direction: LEFT_TO_RIGHT

Reference/CAS 541-50-4
type: UnificationXref
id: 541-50-4
db: CAS

Reaction2206
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006740 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006741 Cytosol/Stoichiometry/1.0
right: (R)-3-Hydroxy-hexadecanoic acid
spontaneous: false
left: 3-oxohexadecanoic acid
name: 3-oxohexadecanoic acid → (R)-3-Hydroxy-hexadecanoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2203
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006738 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006739 Cytosol/Stoichiometry/1.0
right: trans-Tetra-dec-2-enoic acid
spontaneous: false
left: (R)-3-Hydroxy-tetradecanoic acid
name: (R)-3-Hydroxy-tetradecanoic acid → trans-Tetra-dec-2-enoic acid
conversion direction: LEFT_TO_RIGHT

Reaction2204
type: BiochemicalReaction
participant stoichiometry: Compound/PW C000643 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006739 Cytosol/Stoichiometry/1.0
right: Myristic acid
spontaneous: false
left: trans-Tetra-dec-2-enoic acid
name: trans-Tetra-dec-2-enoic acid → Myristic acid
conversion direction: LEFT_TO_RIGHT

Reaction2201
type: BiochemicalReaction
participant stoichiometry: Compound/PW C006738 Cytosol/Stoichiometry/1.0
participant stoichiometry: Compound/PW C006737 Cytosol/Stoichiometry/1.0
right: (R)-3-Hydroxy-tetradecanoic acid
spontaneous: false
left: 3-oxotetradecanoic acid
name: 3-oxotetradecanoic acid → (R)-3-Hydroxy-tetradecanoic acid
conversion direction: LEFT_TO_RIGHT

Reference/HMDB HMDB0000638
type: UnificationXref
id: HMDB0000638
db: HMDB

Reference/ChEBI CHEBI 15351
type: UnificationXref
id: CHEBI:15351
db: ChEBI

Reference/PubChem-compound 176
type: UnificationXref
id: 176
db: PubChem-compound

Reference/PubChem-compound 15569776
type: UnificationXref
id: 15569776
db: PubChem-compound

Reference/CAS 85-61-0
type: UnificationXref
id: 85-61-0
db: CAS

Reference/BioCyc MALONYL-COA
type: UnificationXref
id: MALONYL-COA
db: BioCyc